ethyl (E)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)phenyl]acrylic acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C20H21NO3S/c1-2-24-19(22)12-9-14-7-10-16(11-8-14)21-20(23)18-13-15-5-3-4-6-17(15)25-18/h7-13H,2-6H2,1H3,(H,21,23)/b12-9+