methyl 4-[(5-azanyl-1-benzothiophen-3-yl)methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(5-azanyl-1-benzothiophen-3-yl)methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[(5-aminobenzothiophen-3-yl)methyl]-3-methoxy-benzoate CAS Name: 4-[(5-amino-1-benzothiophen-3-yl)methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1-benzothiophen-3-yl)methyl]-3-methoxybenzoate Traditional Name: 4-[(5-aminobenzothiophen-3-yl)methyl]-3-methoxy-benzoic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CSC3=C2C=C(C=C3)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CSC3=C2C=C(C=C3)N

InChI

InChI=1S/C18H17NO3S/c1-21-16-8-12(18(20)22-2)4-3-11(16)7-13-10-23-17-6-5-14(19)9-15(13)17/h3-6,8-10H,7,19H2,1-2H3