[(2R)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(2R)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [(2R)-1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-(2-furanylmethyl)ammonium IUPAC Name: [(2R)-1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]-(furan-2-ylmethyl)azanium Traditional Name: [(1R)-2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]-(2-furfuryl)ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)[NH2+]CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@@H](C)[NH2+]CC3=CC=CO3

InChI

InChI=1S/C21H22N2O4S/c1-3-26-21(25)18-17(15-8-5-4-6-9-15)13-28-20(18)23-19(24)14(2)22-12-16-10-7-11-27-16/h4-11,13-14,22H,3,12H2,1-2H3,(H,23,24)/p+1/t14-/m1/s1