methyl 2-[2-(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-12-7-8-14-16(9-12)29-19-18(14)20(26)24(11-22-19)10-17(25)23-15-6-4-3-5-13(15)21(27)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,25)