methyl 2-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C19H21N3O4S2/c1-25-12-8-6-11(7-9-12)10-15(23)21-22-19(27)20-17-16(18(24)26-2)13-4-3-5-14(13)28-17/h6-9H,3-5,10H2,1-2H3,(H,21,23)(H2,20,22,27)