2-[(3,5-dimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(3,5-dimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(3,5-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(3,5-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-])OC

InChI

InChI=1S/C18H19NO5S/c1-23-11-7-10(8-12(9-11)24-2)16(20)19-17-15(18(21)22)13-5-3-4-6-14(13)25-17/h7-9H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p-1