5-ethyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-3-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-11-keto-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)S(=O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)S(=O)C5=CC=CC=C5C1=O

InChI

InChI=1S/C27H27N3O4S/c1-3-30-22-18-19(12-13-25(22)35(33)24-11-7-4-8-20(24)27(30)32)26(31)29-16-14-28(15-17-29)21-9-5-6-10-23(21)34-2/h4-13,18H,3,14-17H2,1-2H3