ethyl 4-cyano-3-methyl-5-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC=C2C=CC=CC2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC=C2C=CC=CC2=O)C#N)C

InChI

InChI=1S/C16H14N2O3S/c1-3-21-16(20)14-10(2)12(8-17)15(22-14)18-9-11-6-4-5-7-13(11)19/h4-7,9,18H,3H2,1-2H3