3-[2-[3-(1,3-benzothiazol-2-yl)propanoyl]hydrazinyl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-[3-(1,3-benzothiazol-2-yl)propanoyl]hydrazinyl]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[3-(1,3-benzothiazol-2-yl)propanoyl]hydrazino]-4-chloro-benzoic acid CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]hydrazo]-4-chlorobenzoic acid IUPAC Name: 3-[2-[3-(1,3-benzothiazol-2-yl)propanoyl]hydrazinyl]-4-chlorobenzoic acid Traditional Name: 3-[N'-[3-(1,3-benzothiazol-2-yl)propanoyl]hydrazino]-4-chloro-benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H14ClN3O3S/c18-11-6-5-10(17(23)24)9-13(11)20-21-15(22)7-8-16-19-12-3-1-2-4-14(12)25-16/h1-6,9,20H,7-8H2,(H,21,22)(H,23,24)