[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-cyclopropylcarbamate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-cyclopropylcarbamate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-cyclopropylcarbamate CAS Name: N-cyclopropylcarbamic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-cyclopropylcarbamate Traditional Name: N-cyclopropylcarbamic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)NC3CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)NC3CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O4S/c1-26(2)14-15-27-19-6-4-5-7-20(19)32-22(16-8-12-18(30-3)13-9-16)21(23(27)28)31-24(29)25-17-10-11-17/h4-9,12-13,17,21-22H,10-11,14-15H2,1-3H3,(H,25,29)