2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[(E)-4-methyl-3-oxo-pent-1-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-keto-4-methyl-pent-1-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=CNC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CC(C)C(=O)/C=C/NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-9(2)11(17)7-8-16-14-13(15(18)19)10-5-3-4-6-12(10)20-14/h7-9,16H,3-6H2,1-2H3,(H,18,19)/b8-7+