4-[2-(2-azanylidene-6-methoxy-1,3-benzothiazol-3-yl)ethanoylamino]benzoic acid hydrochloride

Systemtic Name: 4-[2-(2-azanylidene-6-methoxy-1,3-benzothiazol-3-yl)ethanoylamino]benzoic acid hydrochloride Openeye Name: 4-[[2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)acetyl]amino]benzoic acid hydrochloride CAS Name: 4-[[2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)-1-oxoethyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)acetyl]amino]benzoic acid hydrochloride Traditional Name: 4-[[2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)acetyl]amino]benzoic acid hydrochloride Formula: C17H16ClN3O4S MolecularWeight: 393.84464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C17H15N3O4S.ClH/c1-24-12-6-7-13-14(8-12)25-17(18)20(13)9-15(21)19-11-4-2-10(3-5-11)16(22)23;/h2-8,18H,9H2,1H3,(H,19,21)(H,22,23);1H