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

Systemtic Name: methyl 4-[(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]benzoate Openeye Name: methyl 4-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)benzoate CAS Name: 4-[(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzoate Traditional Name: 4-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)N

InChI

InChI=1S/C17H17NO3S/c1-21-17(20)11-8-6-10(7-9-11)15(19)14-12-4-2-3-5-13(12)22-16(14)18/h6-9H,2-5,18H2,1H3