methyl 4-[2-(3,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4S2/c1-10-8-13-15(27-10)20-18(21(2)16(13)23)26-9-14(22)19-12-6-4-11(5-7-12)17(24)25-3/h4-8H,9H2,1-3H3,(H,19,22)