[4-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)amino]-3-nitro-phenyl]-dimethyl-sulfino-azanium

Systemtic Name: [4-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)amino]-3-nitro-phenyl]-dimethyl-sulfino-azanium Openeye Name: [4-[(5-ethyl-3-methoxycarbonyl-2-thienyl)amino]-3-nitro-phenyl]-dimethyl-sulfino-ammonium CAS Name: [4-[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]-3-nitrophenyl]-dimethyl-sulfinoammonium IUPAC Name: [4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-3-nitrophenyl]-dimethyl-sulfinoazanium Traditional Name: [4-[(3-carbomethoxy-5-ethyl-2-thienyl)amino]-3-nitro-phenyl]-dimethyl-sulfino-ammonium Formula: C16H20N3O6S2+ MolecularWeight: 414.4765

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC2=C(C=C(C=C2)[N+](C)(C)S(=O)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC2=C(C=C(C=C2)[N+](C)(C)S(=O)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H19N3O6S2/c1-5-11-9-12(16(20)25-4)15(26-11)17-13-7-6-10(8-14(13)18(21)22)19(2,3)27(23)24/h6-9H,5H2,1-4H3,(H-,17,20,23,24)/p+1