methyl 3-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C20H23NO3S/c1-4-13-6-8-17-15(9-13)11-18(25-17)19(22)21-16-10-14(20(23)24-3)7-5-12(16)2/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,21,22)/t13-/m0/s1