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

Systemtic Name: ethyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(o-anisylthiocarbamoylamino)-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:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CC=C3OC

InChI

InChI=1S/C21H26N2O3S2/c1-3-26-20(24)18-15-10-5-4-6-12-17(15)28-19(18)23-21(27)22-13-14-9-7-8-11-16(14)25-2/h7-9,11H,3-6,10,12-13H2,1-2H3,(H2,22,23,27)