methyl 3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H19N3O6S/c1-10-3-4-15-11(5-10)9-16(29-15)18(24)21-20-17(23)12-6-13(19(25)28-2)8-14(7-12)22(26)27/h6-10H,3-5H2,1-2H3,(H,20,23)(H,21,24)