ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[2-(4-amidinophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H28N4O3S/c1-2-35-26(33)16-17-32(22-6-4-3-5-7-22)28(34)21-13-14-24-23(18-21)31-25(36-24)15-10-19-8-11-20(12-9-19)27(29)30/h3-9,11-14,18H,2,10,15-17H2,1H3,(H3,29,30)