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

Systemtic Name: diethyl 5-azanyl-3-[(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-[(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=C(C(=O)N2CC=C)SC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=C(C(=O)N2CC=C)SC=C3)C(=O)OCC)N

InChI

InChI=1S/C20H21N3O5S3/c1-4-8-23-17(24)15-12(7-9-29-15)22-20(23)30-10-11-13(18(25)27-5-2)16(21)31-14(11)19(26)28-6-3/h4,7,9H,1,5-6,8,10,21H2,2-3H3