methyl 3-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C20H21N3O4S/c1-11-5-6-14(20(26)27-4)9-15(11)22-16(24)7-8-23-10-21-18-17(19(23)25)12(2)13(3)28-18/h5-6,9-10H,7-8H2,1-4H3,(H,22,24)