(E)-7-azanyl-2-(1-benzothiophen-2-ylcarbonylamino)-7-oxidanylidene-hept-2-enoic acid

Systemtic Name: (E)-7-azanyl-2-(1-benzothiophen-2-ylcarbonylamino)-7-oxidanylidene-hept-2-enoic acid Openeye Name: (E)-7-amino-2-(benzothiophene-2-carbonylamino)-7-oxo-hept-2-enoic acid CAS Name: (E)-7-amino-2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-7-oxo-2-heptenoic acid IUPAC Name: (E)-7-amino-2-(1-benzothiophene-2-carbonylamino)-7-oxohept-2-enoic acid Traditional Name: (E)-7-amino-2-(benzothiophene-2-carbonylamino)-7-keto-hept-2-enoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC(=CCCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)N/C(=C/CCCC(=O)N)/C(=O)O

InChI

InChI=1S/C16H16N2O4S/c17-14(19)8-4-2-6-11(16(21)22)18-15(20)13-9-10-5-1-3-7-12(10)23-13/h1,3,5-7,9H,2,4,8H2,(H2,17,19)(H,18,20)(H,21,22)/b11-6+