[(1S)-2,3-dihydro-1H-inden-1-yl]-[2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-[2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-prop-2-ynyl-azanium Openeye Name: [2-[(3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-[(1S)-indan-1-yl]-prop-2-ynyl-ammonium CAS Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-[2-[(3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-[2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-prop-2-ynylazanium Traditional Name: [2-[(3-carbethoxy-2-thienyl)amino]-2-keto-ethyl]-[(1S)-indan-1-yl]-propargyl-ammonium Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+](CC#C)C2CCC3=CC=CC=C23

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+](CC#C)[C@H]2CCC3=CC=CC=C23

InChI

InChI=1S/C21H22N2O3S/c1-3-12-23(18-10-9-15-7-5-6-8-16(15)18)14-19(24)22-20-17(11-13-27-20)21(25)26-4-2/h1,5-8,11,13,18H,4,9-10,12,14H2,2H3,(H,22,24)/p+1/t18-/m0/s1