[8-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-5H-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [8-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-5H-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-2-(4-methoxyphenyl)-4-oxo-5H-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-2-(4-methoxyphenyl)-4-oxo-5H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-2-(4-methoxyphenyl)-4-oxo-5H-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-4-keto-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-3-yl] ester Formula: C18H14ClNO4S MolecularWeight: 375.82606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=C(C=CC(=C2)Cl)NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1=C(SC2=C(C=CC(=C2)Cl)NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H14ClNO4S/c1-10(21)24-16-17(11-3-6-13(23-2)7-4-11)25-15-9-12(19)5-8-14(15)20-18(16)22/h3-9H,1-2H3,(H,20,22)