(E)-3-[5-[2-[(4-carbamimidoylphenyl)carbonylamino]propyl]thiophen-2-yl]but-2-enoate

Systemtic Name: (E)-3-[5-[2-[(4-carbamimidoylphenyl)carbonylamino]propyl]thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-[2-[(4-carbamimidoylbenzoyl)amino]propyl]-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-[2-[(4-carbamimidoylbenzoyl)amino]propyl]thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-[2-[(4-amidinobenzoyl)amino]propyl]-2-thienyl]but-2-enoate Formula: C19H20N3O3S- MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(S1)C(=CC(=O)[O-])C)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC1=CC=C(S1)/C(=C/C(=O)[O-])/C)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O3S/c1-11(9-17(23)24)16-8-7-15(26-16)10-12(2)22-19(25)14-5-3-13(4-6-14)18(20)21/h3-9,12H,10H2,1-2H3,(H3,20,21)(H,22,25)(H,23,24)/p-1/b11-9+