[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H18N4O3S/c1-13-7-8-15(11-14(13)2)25-18(27)12-29-22(28)20-19(23-9-10-24-20)21-26-16-5-3-4-6-17(16)30-21/h3-11H,12H2,1-2H3,(H,25,27)