N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-8-methoxy-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-8-methoxy-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-8-methoxy-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-8-methoxy-2-oxochromene-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-keto-8-methoxy-chromene-3-carboxamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

InChI

InChI=1S/C23H26N2O4S/c1-28-20-8-6-7-16-13-18(23(27)29-21(16)20)22(26)24-14-19(17-9-12-30-15-17)25-10-4-2-3-5-11-25/h6-9,12-13,15,19H,2-5,10-11,14H2,1H3,(H,24,26)