dimethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-11-4-6-13-15(10-27-17(13)8-11)18(22)21-16-9-12(19(23)25-2)5-7-14(16)20(24)26-3/h5,7,9-11H,4,6,8H2,1-3H3,(H,21,22)/t11-/m0/s1