5-(2-chloroethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione

Systemtic Name: 5-(2-chloroethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 5-(2-chloroethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione CAS Name: 5-(2-chloroethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione IUPAC Name: 5-(2-chloroethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 5-(2-chloroethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-quinone Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=O)C(=O)N(C3=CC=CC=C3S2)CCCl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=O)C(=O)N(C3=CC=CC=C3S2)CCCl

InChI

InChI=1S/C18H16ClNO3S/c1-23-13-8-6-12(7-9-13)17-16(21)18(22)20(11-10-19)14-4-2-3-5-15(14)24-17/h2-9,17H,10-11H2,1H3