ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H16N4O3S3 MolecularWeight: 432.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C18H16N4O3S3/c1-3-6-22-16(23)10-5-7-26-15(10)21-18(22)27-9-12-11(8-19)14(20)28-13(12)17(24)25-4-2/h3,5,7H,1,4,6,9,20H2,2H3