methyl 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazol-6-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazol-6-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazole-6-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1,3-benzothiazol-6-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazole-6-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1,3-benzothiazole-6-carbonyl]amino]propionic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O3S/c1-26-16(24)8-9-22-18(25)13-6-7-14-15(10-13)27-19(23-14)12-4-2-11(3-5-12)17(20)21/h2-7,10H,8-9H2,1H3,(H3,20,21)(H,22,25)