methyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2O4S/c1-12-9-10-15-16(11-12)29-21(18(15)22(26)27-3)23-20(25)17-13(2)28-24-19(17)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,23,25)