2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20)(H,21,22)/b11-10+