[5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-4-keto-8-methyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC(=O)C

InChI

InChI=1S/C24H30N2O3S/c1-6-18-8-10-19(11-9-18)23-22(29-17(3)27)24(28)26(14-13-25(4)5)20-12-7-16(2)15-21(20)30-23/h7-12,15,22-23H,6,13-14H2,1-5H3