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

Systemtic Name: ethyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(o-phenetylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

InChI

InChI=1S/C21H26N2O3S2/c1-3-25-16-12-9-8-11-15(16)22-21(27)23-19-18(20(24)26-4-2)14-10-6-5-7-13-17(14)28-19/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,22,23,27)