[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-amino-1,3-benzothiazole-6-carboxylate CAS Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C16H12N4O3S2/c1-8(13(21)20-14-10(7-17)4-5-24-14)23-15(22)9-2-3-11-12(6-9)25-16(18)19-11/h2-6,8H,1H3,(H2,18,19)(H,20,21)