ethyl 3-[[3-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[3-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]anilino)propanoate CAS Name: 3-(N-[[3-[[(4-carbamimidoylphenyl)thio]methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[3-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]anilino)propanoate Traditional Name: 3-(N-[3-[[(4-amidinophenyl)thio]methyl]-2-keto-1-methyl-quinoxaline-6-carbonyl]anilino)propionic acid ethyl ester Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)CSC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)CSC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C29H29N5O4S/c1-3-38-26(35)15-16-34(21-7-5-4-6-8-21)28(36)20-11-14-25-23(17-20)32-24(29(37)33(25)2)18-39-22-12-9-19(10-13-22)27(30)31/h4-14,17H,3,15-16,18H2,1-2H3,(H3,30,31)