(phenylmethyl) N-[2-[(2S,3S)-8-chloranyl-3-oxidanyl-4-oxidanylidene-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methyl-carbamate

Systemtic Name: (phenylmethyl) N-[2-[(2S,3S)-8-chloranyl-3-oxidanyl-4-oxidanylidene-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methyl-carbamate Openeye Name: benzyl N-[2-[(2S,3S)-2-(4-benzyloxyphenyl)-8-chloro-3-hydroxy-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methyl-carbamate CAS Name: N-[2-[(2S,3S)-8-chloro-3-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[(2S,3S)-8-chloro-3-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate Traditional Name: N-[2-[(2S,3S)-2-(4-benzoxyphenyl)-8-chloro-3-hydroxy-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methyl-carbamic acid benzyl ester Formula: C33H31ClN2O5S MolecularWeight: 603.12764

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CN(CCN1C2=C(C=C(C=C2)Cl)S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H31ClN2O5S/c1-35(33(39)41-22-24-10-6-3-7-11-24)18-19-36-28-17-14-26(34)20-29(28)42-31(30(37)32(36)38)25-12-15-27(16-13-25)40-21-23-8-4-2-5-9-23/h2-17,20,30-31,37H,18-19,21-22H2,1H3/t30-,31+/m1/s1