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

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate Traditional Name: acetic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] ester Formula: C23H29N2O4S+ MolecularWeight: 429.55236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(C)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(C)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N2O4S/c1-16(26)29-21-22(17-10-12-18(28-5)13-11-17)30-20-9-7-6-8-19(20)25(4,23(21)27)15-14-24(2)3/h6-13,21-22H,14-15H2,1-5H3/q+1