[2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c1-3-25-20(24)18-16(15-9-10-15)12-26-19(18)22-17(23)11-21-13(2)14-7-5-4-6-8-14/h4-8,12-13,15,21H,3,9-11H2,1-2H3,(H,22,23)/p+1/t13-/m1/s1