ethyl 2-[(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-cyano-3-ethoxy-3-keto-prop-1-enyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C(C#N)C(=O)OCC

InChI

InChI=1S/C16H15N3O4S/c1-3-22-14(20)10-5-6-12-13(7-10)24-16(19-12)18-9-11(8-17)15(21)23-4-2/h5-7,9H,3-4H2,1-2H3,(H,18,19)