methyl 3-azanyl-4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-[(2-ethoxy-2-oxoethyl)thio]-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(2-ethoxy-2-oxoethyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-[(2-ethoxy-2-keto-ethyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C14H14N2O6S2 MolecularWeight: 370.40076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6S2/c1-3-22-10(17)6-23-8-4-7(16(19)20)5-9-11(8)12(15)13(24-9)14(18)21-2/h4-5H,3,6,15H2,1-2H3