hex-4-en-1-yn-3-yl 2-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: hex-4-en-1-yn-3-yl 2-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: 1-ethynylbut-2-enyl 2-[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-oxomethyl]benzoic acid hex-4-en-1-yn-3-yl ester IUPAC Name: hex-4-en-1-yn-3-yl 2-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbonyl]benzoic acid 1-ethynylbut-2-enyl ester Formula: C28H25BrN2O3S MolecularWeight: 549.4787

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C#C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC=CC(C#C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H25BrN2O3S/c1-3-8-22(4-2)34-28(33)24-12-6-5-11-23(24)27(32)31-15-13-19(14-16-31)26-30-25(18-35-26)20-9-7-10-21(29)17-20/h2-3,5-12,17-19,22H,13-16H2,1H3