3-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H22N2O4S2/c1-10-4-7-13-15(8-10)28-17(16(13)19(25)26-3)22-20(27)21-14-9-12(18(23)24)6-5-11(14)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,23,24)(H2,21,22,27)