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

Systemtic Name: ethyl 5-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC=C2C=C(C=C(C2=O)OC)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC=C2C=C(C=C(C2=O)OC)Br)C#N)C

InChI

InChI=1S/C17H15BrN2O4S/c1-4-24-17(22)15-9(2)12(7-19)16(25-15)20-8-10-5-11(18)6-13(23-3)14(10)21/h5-6,8,20H,4H2,1-3H3