N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-6-chloranyl-7-methyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-6-chloranyl-7-methyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-6-chloro-7-methyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-6-chloro-7-methyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-6-chloro-4-keto-7-methyl-chromene-2-carboxamide Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CS3)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CS3)N4CCCCCC4)Cl

InChI

InChI=1S/C23H25ClN2O3S/c1-15-11-20-16(12-17(15)24)19(27)13-21(29-20)23(28)25-14-18(22-7-6-10-30-22)26-8-4-2-3-5-9-26/h6-7,10-13,18H,2-5,8-9,14H2,1H3,(H,25,28)/t18-/m0/s1