4-[[(E)-N'-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamimidoyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[(E)-N'-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamimidoyl]carbamoyl]benzoic acid Openeye Name: 4-[[(E)-N'-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)carbamimidoyl]carbamoyl]benzoic acid CAS Name: 4-[[[(E)-amino-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)imino]methyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[(E)-N'-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamimidoyl]carbamoyl]benzoic acid Traditional Name: 4-[[(E)-N'-(5-carbethoxy-4-methyl-thiazol-2-yl)amidino]carbamoyl]benzoic acid Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N=C(N)NC(=O)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)/N=C(\N)/NC(=O)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H16N4O5S/c1-3-25-14(24)11-8(2)18-16(26-11)20-15(17)19-12(21)9-4-6-10(7-5-9)13(22)23/h4-7H,3H2,1-2H3,(H,22,23)(H3,17,18,19,20,21)