[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-1,3-benzothiazole-6-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-amino-1,3-benzothiazole-6-carboxylate CAS Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-amino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C20H21N3O3S/c1-3-12-6-5-7-13(4-2)18(12)23-17(24)11-26-19(25)14-8-9-15-16(10-14)27-20(21)22-15/h5-10H,3-4,11H2,1-2H3,(H2,21,22)(H,23,24)