5-(2-dimethylaminoethyl)-2-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanyl-8-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanyl-8-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-benzyl-5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxy-phenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-8-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-benzyl-5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-benzyl-5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxy-phenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C27H29FN2O3S MolecularWeight: 480.594163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)CC3=CC=CC=C3)SC(C(C1=O)O)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)CC3=CC=CC=C3)SC(C(C1=O)O)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C27H29FN2O3S/c1-29(2)13-14-30-22-11-9-19(15-18-7-5-4-6-8-18)16-24(22)34-26(25(31)27(30)32)20-10-12-23(33-3)21(28)17-20/h4-12,16-17,25-26,31H,13-15H2,1-3H3