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

Systemtic Name: methyl 3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate Openeye Name: methyl 3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoate CAS Name: 3-[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate Traditional Name: 3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C18H18N2O4S/c1-24-18(23)11-6-4-5-10(9-11)16(22)20-17-14(15(19)21)12-7-2-3-8-13(12)25-17/h4-6,9H,2-3,7-8H2,1H3,(H2,19,21)(H,20,22)