methyl 4-[(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

InChI

InChI=1S/C22H18N2O3S3/c1-3-10-24-20(25)18-16(17-5-4-11-28-17)13-29-19(18)23-22(24)30-12-14-6-8-15(9-7-14)21(26)27-2/h3-9,11,13H,1,10,12H2,2H3