methyl (6R)-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S2/c1-10-4-6-12-15(8-10)29-17(16(12)18(23)27-3)21-19(28)20-13-7-5-11(26-2)9-14(13)22(24)25/h5,7,9-10H,4,6,8H2,1-3H3,(H2,20,21,28)/t10-/m1/s1