methyl 7-[(5-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(5-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[(5-carbamimidoylbenzothiophene-2-carbonyl)amino]heptanoate CAS Name: 7-[[(5-carbamimidoyl-1-benzothiophen-2-yl)-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(5-carbamimidoyl-1-benzothiophene-2-carbonyl)amino]heptanoate Traditional Name: 7-[(5-amidinobenzothiophene-2-carbonyl)amino]enanthic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)C(=N)N

InChI

InChI=1S/C18H23N3O3S/c1-24-16(22)6-4-2-3-5-9-21-18(23)15-11-13-10-12(17(19)20)7-8-14(13)25-15/h7-8,10-11H,2-6,9H2,1H3,(H3,19,20)(H,21,23)