methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(o-phenetylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

InChI

InChI=1S/C20H24N2O3S2/c1-4-25-15-8-6-5-7-14(15)21-20(26)22-18-17(19(23)24-3)13-10-9-12(2)11-16(13)27-18/h5-8,12H,4,9-11H2,1-3H3,(H2,21,22,26)