ethyl 2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-carbomethoxy-2-methyl-phenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H26N2O4S2/c1-4-28-21(26)18-15-8-6-5-7-9-17(15)30-19(18)24-22(29)23-16-12-14(20(25)27-3)11-10-13(16)2/h10-12H,4-9H2,1-3H3,(H2,23,24,29)