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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(=O)OC)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(=O)OC)[N+](=O)[O-])N

InChI

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