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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-isobutyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(2-methylpropyl)ammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: (2-amino-2-keto-ethyl)-[2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-isobutyl-ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+](CC(C)C)CC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+](CC(C)C)CC(=O)N

InChI

InChI=1S/C22H29N3O4S/c1-5-29-22(28)20-19(16-9-7-6-8-10-16)15(4)30-21(20)24-18(27)13-25(11-14(2)3)12-17(23)26/h6-10,14H,5,11-13H2,1-4H3,(H2,23,26)(H,24,27)/p+1