[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C20H17N3O3S2/c24-17(21-9-7-18-22-14-5-1-2-6-16(14)28-18)13-26-20(25)19-15(8-12-27-19)23-10-3-4-11-23/h1-6,8,10-12H,7,9,13H2,(H,21,24)