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

Systemtic Name: [5-(2-dimethylaminoethyl)-8-fluoranyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate Openeye Name: [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(2-dimethylaminoethyl)-8-fluoro-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C28H29FN2O4S MolecularWeight: 508.604263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(SC3=C(C=CC(=C3)F)N(C2=O)CCN(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2C(SC3=C(C=CC(=C3)F)N(C2=O)CCN(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29FN2O4S/c1-18-5-7-20(8-6-18)28(33)35-25-26(19-9-12-22(34-4)13-10-19)36-24-17-21(29)11-14-23(24)31(27(25)32)16-15-30(2)3/h5-14,17,25-26H,15-16H2,1-4H3