7-chloranyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 7-chloranyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 7-chloro-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 7-chloro-5-[2-(4-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 7-chloro-5-[2-(4-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 7-chloro-5-[2-keto-2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C(=O)CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C(=O)CCSC3=C2C=C(C=C3)Cl

InChI

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