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

Systemtic Name: methyl 2-[(3-methoxynaphthalen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-methoxy-2-naphthoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H21NO4S/c1-26-17-12-14-8-4-3-7-13(14)11-16(17)20(24)23-21-19(22(25)27-2)15-9-5-6-10-18(15)28-21/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,23,24)