2-[[2-azanyl-4-[dimethyl(sulfinato)azaniumyl]phenyl]amino]-5-ethyl-3-methoxycarbonyl-thiophene

Systemtic Name: 2-[[2-azanyl-4-[dimethyl(sulfinato)azaniumyl]phenyl]amino]-5-ethyl-3-methoxycarbonyl-thiophene Openeye Name: 2-[2-amino-4-[dimethyl(sulfinato)ammonio]anilino]-5-ethyl-3-methoxycarbonyl-thiophene CAS Name: 2-[2-amino-4-[dimethyl(sulfinato)ammonio]anilino]-5-ethyl-3-methoxycarbonylthiophene IUPAC Name: 2-[2-amino-4-[dimethyl(sulfinato)azaniumyl]anilino]-5-ethyl-3-methoxycarbonylthiophene Traditional Name: 2-[2-amino-4-[dimethyl(sulfinato)ammonio]anilino]-3-carbomethoxy-5-ethyl-thiophene Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S2/c1-5-11-9-12(16(20)23-4)15(24-11)18-14-7-6-10(8-13(14)17)19(2,3)25(21)22/h6-9H,5,17H2,1-4H3,(H-,18,20,21,22)