2-[2-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-anilino]-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylanilino]-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-anilino]-2-keto-ethyl]thio]succinic acid Formula: C25H25N3O7S4 MolecularWeight: 607.7419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC(CC(=O)O)C(=O)O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC(CC(=O)O)C(=O)O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C25H25N3O7S4/c1-13-8-15(28-21(29)12-37-19(24(32)33)11-22(30)31)6-7-17(13)14-4-3-5-16(9-14)39(34,35)20-10-18(23(26)27)38-25(20)36-2/h3-10,19H,11-12H2,1-2H3,(H3,26,27)(H,28,29)(H,30,31)(H,32,33)