2-[8-chloranyl-2-(4-hydroxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[8-chloranyl-2-(4-hydroxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[8-chloro-3-hydroxy-2-(4-hydroxyphenyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C17H14ClNO5S MolecularWeight: 379.81476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC(=O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC(=O)O)O)O

InChI

InChI=1S/C17H14ClNO5S/c18-10-3-6-12-13(7-10)25-16(9-1-4-11(20)5-2-9)15(23)17(24)19(12)8-14(21)22/h1-7,15-16,20,23H,8H2,(H,21,22)