[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-methoxypropyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-methoxypropyl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-(3-methoxypropyl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(3-methoxypropyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(3-methoxypropyl)azanium Traditional Name: [2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-(3-methoxypropyl)ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH2+]CCCOC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH2+]CCCOC

InChI

InChI=1S/C20H26N2O4S/c1-4-26-20(24)18-17(15-9-6-5-7-10-15)14(2)27-19(18)22-16(23)13-21-11-8-12-25-3/h5-7,9-10,21H,4,8,11-13H2,1-3H3,(H,22,23)/p+1