[2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1,3-dimethylpyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1,3-dimethylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(1,3-dimethylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(1,3-dimethyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(1,3-dimethylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[(1,3-dimethylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C18H26N5O4S+ MolecularWeight: 408.49514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+](C)CC2=CN(N=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+](C)CC2=CN(N=C2C)C

InChI

InChI=1S/C18H25N5O4S/c1-6-27-18(26)14-10(2)15(16(19)25)28-17(14)20-13(24)9-22(4)7-12-8-23(5)21-11(12)3/h8H,6-7,9H2,1-5H3,(H2,19,25)(H,20,24)/p+1