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

Systemtic Name: ethyl 2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5S2/c1-3-28-19(24)17-13-7-5-4-6-8-16(13)30-18(17)22-20(29)21-14-11-12(23(25)26)9-10-15(14)27-2/h9-11H,3-8H2,1-2H3,(H2,21,22,29)