methyl 3-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H15N3O3S3 MolecularWeight: 441.5464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O3S3/c1-26-20(25)17-14(7-8-27-17)23-16(24)10-28-18-13-9-15(12-5-3-2-4-6-12)29-19(13)22-11-21-18/h2-9,11H,10H2,1H3,(H,23,24)