ethyl 2-(2-carbamimidoylsulfanylethanoylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-carbamimidoylsulfanylethanoylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-carbamimidoylsulfanylacetyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(carbamimidoylthio)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-carbamimidoylsulfanylacetyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(amidinothio)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC(=N)N

InChI

InChI=1S/C16H17N3O3S2/c1-2-22-15(21)11-8-12(10-6-4-3-5-7-10)24-14(11)19-13(20)9-23-16(17)18/h3-8H,2,9H2,1H3,(H3,17,18)(H,19,20)