[8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] pentanoate

Systemtic Name: [8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] pentanoate Openeye Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pentanoate CAS Name: pentanoic acid [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pentanoate Traditional Name: valeric acid [8-chloro-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C25H31ClN2O4S MolecularWeight: 491.04264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31ClN2O4S/c1-5-6-7-22(29)32-23-24(17-8-11-19(31-4)12-9-17)33-21-16-18(26)10-13-20(21)28(25(23)30)15-14-27(2)3/h8-13,16,23-24H,5-7,14-15H2,1-4H3