2-[3-(2-azanyl-1,3-benzothiazol-6-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(2-azanyl-1,3-benzothiazol-6-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(2-amino-1,3-benzothiazol-6-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(2-amino-1,3-benzothiazol-6-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(2-amino-1,3-benzothiazol-6-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(2-amino-1,3-benzothiazol-6-yl)propanoylamino]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C17H15N3O3S/c18-17-20-13-7-5-10(9-14(13)24-17)6-8-15(21)19-12-4-2-1-3-11(12)16(22)23/h1-5,7,9H,6,8H2,(H2,18,20)(H,19,21)(H,22,23)