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

Systemtic Name: methyl 4-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoate CAS Name: 4-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N2O3S/c1-11-3-8-14-15(10-20)18(25-16(14)9-11)21-17(22)12-4-6-13(7-5-12)19(23)24-2/h4-7,11H,3,8-9H2,1-2H3,(H,21,22)/t11-/m0/s1