ethyl (E)-3-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]but-2-enoate

Systemtic Name: ethyl (E)-3-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]but-2-enoate Openeye Name: ethyl (E)-3-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]but-2-enoate CAS Name: (E)-3-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]but-2-enoate Traditional Name: (E)-3-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]but-2-enoic acid ethyl ester Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CC(=CC=C1)S(=O)(=O)C2=C(SC(=C2)C(=N)N)SC

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CC(=CC=C1)S(=O)(=O)C2=C(SC(=C2)C(=N)N)SC

InChI

InChI=1S/C18H20N2O4S3/c1-4-24-16(21)8-11(2)12-6-5-7-13(9-12)27(22,23)15-10-14(17(19)20)26-18(15)25-3/h5-10H,4H2,1-3H3,(H3,19,20)/b11-8+