[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H17N3O3S/c24-19(21-8-7-14-10-22-16-4-2-1-3-15(14)16)11-26-20(25)13-5-6-17-18(9-13)27-12-23-17/h1-6,9-10,12,22H,7-8,11H2,(H,21,24)