ethyl 2-[(E)-dimethylaminomethylideneamino]-5-(2-nitrophenyl)sulfanyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(E)-dimethylaminomethylideneamino]-5-(2-nitrophenyl)sulfanyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-dimethylaminomethyleneamino]-5-(2-nitrophenyl)sulfanyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(E)-dimethylaminomethylideneamino]-5-[(2-nitrophenyl)thio]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-dimethylaminomethylideneamino]-5-(2-nitrophenyl)sulfanyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(E)-dimethylaminomethyleneamino]-5-[(2-nitrophenyl)thio]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])/N=C/N(C)C

InChI

InChI=1S/C22H21N3O4S2/c1-4-29-21(26)19-18(15-10-6-5-7-11-15)22(31-20(19)23-14-24(2)3)30-17-13-9-8-12-16(17)25(27)28/h5-14H,4H2,1-3H3/b23-14+