(phenylmethyl) N-methyl-N-[2-[(2R,3R)-2-(4-methylphenyl)-3-oxidanyl-4-oxidanylidene-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-methyl-N-[2-[(2R,3R)-2-(4-methylphenyl)-3-oxidanyl-4-oxidanylidene-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]carbamate Openeye Name: benzyl N-[2-[(2R,3R)-8-benzyloxy-3-hydroxy-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methyl-carbamate CAS Name: N-[2-[(2R,3R)-3-hydroxy-2-(4-methylphenyl)-4-oxo-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[(2R,3R)-3-hydroxy-2-(4-methylphenyl)-4-oxo-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate Traditional Name: N-[2-[(2R,3R)-8-benzoxy-3-hydroxy-4-keto-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methyl-carbamic acid benzyl ester Formula: C34H34N2O5S MolecularWeight: 582.70916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)CCN(C)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N(C3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)CCN(C)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C34H34N2O5S/c1-24-13-15-27(16-14-24)32-31(37)33(38)36(20-19-35(2)34(39)41-23-26-11-7-4-8-12-26)29-18-17-28(21-30(29)42-32)40-22-25-9-5-3-6-10-25/h3-18,21,31-32,37H,19-20,22-23H2,1-2H3/t31-,32+/m0/s1