3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C18H12ClN3O3S/c19-9-5-6-12-10(7-9)11(16(20-12)17(24)25)8-15(23)22-18-21-13-3-1-2-4-14(13)26-18/h1-7,20H,8H2,(H,24,25)(H,21,22,23)