methyl 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)benzoate

Systemtic Name: methyl 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)benzoate Openeye Name: methyl 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)benzoate CAS Name: 2-methoxy-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)benzoate Traditional Name: 2-methoxy-4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)benzoic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)C(=O)OC

InChI

InChI=1S/C18H19NO4S/c1-22-15-11-12(6-7-13(15)18(21)23-2)17(20)19-9-4-3-5-16-14(19)8-10-24-16/h6-8,10-11H,3-5,9H2,1-2H3