(2R,3R)-7-azanyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-7-azanyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-7-amino-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-7-amino-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-7-amino-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-7-amino-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=CC(=C2)N)SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=CC(=C2)N)S[C@@H]([C@@H](C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O3S/c1-22(2)10-11-23-16-12-14(21)6-9-17(16)27-19(18(24)20(23)25)13-4-7-15(26-3)8-5-13/h4-9,12,18-19,24H,10-11,21H2,1-3H3/t18-,19+/m0/s1